Formulation Of Boundary Conditions Research Articles

Compliance boundary conditions for patient-specific deformation simulation using the finite element method

Tissue deformation simulations for pre-operative planning or intra-operative guidance of medical procedures require accurate patient-specific models and are commonly performed using the Finite Element Method (FEM). Since only a small part of the entire body is typically observed with medical imaging, the deformation models are often limited to a relatively small region-of-interest (ROI). Surrounding this ROI, one then needs to define suitable boundary conditions for an accurate simulation. Conventionally, boundary conditions are set arbitrarily or heuristically at chosen model locations; typically as either zero-displacement or -force constraint, which obviously are suboptimal where ROI borders are neither fixed (e.g. on bone) or free (e.g. skin facing the air). In this work, we present a novel boundary-condition formulation, called compliance boundary conditions (CBC), which approximate the effect of anatomy outside this ROI and augment this onto the ROI border nodes. CBC can be parametrized from observed tissue displacements, e.g. tracked in ultrasound (US) or magnetic-resonance imaging. It is inherently embedded in the FEM deformation model to be used for computing any interaction response. CBC is a generalization of conventional boundary constraints, where the typical zero-displacement and -force constraints are obtained at the two extremes of the given CBC parameter. We demonstrate CBC for linear- and quadratic-strain FEM models in 2D and 3D numerical phantoms, for which different element/integration formulations and the effect of noise are studied. CBC is shown to reduce displacement errors for both 2D and 3D numerical phantoms by more than 50% compared to conventional boundary conditions. We also present CBC on tissue-mimicking gelatin phantom experiments from displacements observed in US images. In an application scenario of simulating needle insertion for prostate brachytherapy, CBC is shown to reduce seed placement errors by more than 70% compared to conventional boundary conditions.

Algebraic formulation of nonlinear surface impedance boundary condition coupled with BEM for unstructured meshes

This paper deals with nonlinear eddy currents problems introducing a novel surface impedance boundary conditions (SIBC). The SIBC is formulated in the algebraic framework giving to the field problem a circuital interpretation. In this way, the material behavior of the conductive computational domain is described by a network of lumped components. This paper shows that this matrix can be defined analytically in the case of linear magnetic characteristic or numerically when the material is nonlinear. It is shown that by mapping the magnetic nonlinearity into the circuit matrix the nonlinearity of the problem is smoothed and, therefore, a simple iterative scheme can be used. The SIBC is coupled to a BEM (for the region surrounding) giving rise to a hybrid solution. The method has been tested in terms of efficiency and accuracy. The use of the Schur complement of the solution matrix has allowed to decrease the solution time of an order of magnitude. A block triangular preconditioner is finally proposed in the case of highly distorted elements of the mesh. The preconditioner is based on the sparsification of the BEM matrix and its performance are analyzed considering a benchmark problem and a real problem (a wireless power transfer system).

New boundary conditions for fluid interaction with hydrophobic surface

Solution of both laminar and turbulent flow with consideration of hydrophobic surface is based on the original Navier assumption that the shear stress on the hydrophobic surface is directly proportional to the slipping velocity. In the previous work a laminar flow analysis with different boundary conditions was performed. The shear stress value on the tube walls directly depends on the pressure gradient. In the solution of the turbulent flow by the k-ε model, the occurrence of the fluctuation components of velocity on the hydrophobic surface is considered. The fluctuation components of the velocity affect the size of the adhesive forces. We assume that the boundary condition for ε depending on the velocity gradients will not need to be changed. When the liquid slips over the surface, non-zero fluctuation velocity components occur in the turbulent flow. These determine the non-zero value of the turbulent kinetic energy K. In addition, the fluctuation velocity components also influence the value of the adhesive forces, so it is necessary to include these in the formulation of new boundary conditions for turbulent flow on the hydrophobic surface.

New boundary conditions for fluid interaction with hydrophobic surface

Solution of both laminar and turbulent flow with consideration of hydrophobic surface is based on the original Navier assumption that the shear stress on the hydrophobic surface is directly proportional to the slipping velocity. In the previous work a laminar flow analysis with different boundary conditions was performed. The shear stress value on the tube walls directly depends on the pressure gradient. In the solution of the turbulent flow by the k-ε model, the occurrence of the fluctuation components of velocity on the hydrophobic surface is considered. The fluctuation components of the velocity affect the size of the adhesive forces. We assume that the boundary condition for ε depending on the velocity gradients will not need to be changed. When the liquid slips over the surface, non-zero fluctuation velocity components occur in the turbulent flow. These determine the non-zero value of the turbulent kinetic energy K. In addition, the fluctuation velocity components also influence the value of the adhesive forces, so it is necessary to include these in the formulation of new boundary conditions for turbulent flow on the hydrophobic surface.

On Stable Wall Boundary Conditions for the Hermite Discretization of the Linearised Boltzmann Equation

We define certain criteria, using the characteristic decomposition of the boundary conditions and energy estimates, which a set of stable boundary conditions for a linear initial boundary value problem, involving a symmetric hyperbolic system, must satisfy. We first use these stability criteria to show the instability of the Maxwell boundary conditions proposed by Grad (Commun Pure Appl Math 2(4):331–407, 1949). We then recognise a special block structure of the moment equations which arises due to the recursion relations and the orthogonality of the Hermite polynomials; the block structure will help us in formulating stable boundary conditions for an arbitrary order Hermite discretization of the Boltzmann equation. The formulation of stable boundary conditions relies upon an Onsager matrix which will be constructed such that the newly proposed boundary conditions stay close to the Maxwell boundary conditions at least in the lower order moments.

Formulation and numerical implementation of micro-scale boundary conditions for particle aggregates

Novel numerical algorithms are presented for the implementation of micro-scale boundary conditions of particle aggregates modelled with the discrete element method. The algorithms are based on a servo-control methodology, using a feedback principle comparable to that of algorithms commonly applied within control theory of dynamic systems. The boundary conditions are defined in accordance with the large deformation theory, and are imposed on a frame of boundary particles surrounding the interior granular micro-structure. Following the formulation presented in Miehe et al. (Int J Numer Methods Eng 83(8–9): 1206–1236, 2010), first three types of classical boundary conditions are considered, in accordance with (1) a homogeneous deformation and zero particle rotation (D), (2) a periodic particle displacement and rotation (P), and (3) a uniform particle force and free particle rotation (T). The algorithms can be straightforwardly combined with commercially available discrete element codes, thereby enabling the determination of the solution of boundary-value problems at the micro-scale only, or at multiple scales via a micro-to-macro coupling with a finite element model. The performance of the algorithms is tested by means of discrete element method simulations on regular monodisperse packings and irregular polydisperse packings composed of frictional particles, which were subjected to various loading paths. The simulations provide responses with the typical stiff and soft bounds for the (D) and (T) boundary conditions, respectively, and illustrate for the (P) boundary condition a relatively fast convergence of the apparent macroscopic properties under an increasing packing size. Finally, a homogenization framework is derived for the implementation of mixed (D)–(P)–(T) boundary conditions that satisfy the Hill–Mandel micro-heterogeneity condition on energy consistency at the micro- and macro-scales of the granular system. The numerical algorithm for the mixed boundary conditions is developed and tested for the case of an infinite layer subjected to a vertical compressive stress and a horizontal shear deformation, whereby the response computed for a layer of cohesive particles is compared against that for a layer of frictional particles.

Free-edge stress fields in cylindrically curved symmetric and unsymmetric cross-ply laminates under bending load

In this paper, an analysis method for the determination of displacement, strain and stress fields in cylindrically curved cross-ply laminates under bending load is presented. The considered cross-ply laminates may be either symmetrically or unsymmetrically laminated and are clamped at one end while the other end is loaded by an evenly distributed bending moment. The analysis method employs a layerwise plane strain approach in the inner regions of the laminate in which the stresses in each layer are represented by adequate formulations for Airy’s stress function. In the regions of the free laminate edges where significant three-dimensional and possibly singular interlaminar stress fields are to be expected, the plane-strain approach is upgraded by a layerwise displacement-based formulation wherein the physical laminate layers are discretized into a number of mathematical layers with respect to the thickness direction. The governing differential equations for the unknown additional displacement functions with respect to the width coordinate in the form of the Euler-Lagrange equations stemming from the underlying variational statement can be solved exactly and eventually lead to an eigenvalue problem that needs to be solved numerically. Usage of continuity conditions between the individual laminate layers and formulation of adequate boundary conditions at the free edges in an integral sense then lead to complete representations for displacements, strains and stresses at every location in the considered laminate. While the analysis approach relies on a discretization of the laminate into a number of mathematical layers with respect to the thickness direction and further requires a numerical solution of a quadratic eigenvalue problem, it provides closed-form analytical solutions concerning the width direction and can thus be classified as being a semi-analytical solution. The presented analysis method is compared to the results of comparative finite element simulations and is shown to be in good agreement, however with only a fraction of the computational effort that is required for according finite element simulations.

Hydrodynamics of vertical falling films in a large-scale pilot unit – a combined experimental and numerical study

The hydrodynamics of vertical falling films in a large-scale pilot unit are investigated experimentally and numerically. We study a broad range of operating conditions with Kapitza and Reynolds numbers ranging from Ka= 191–3394 and Re 24–251, respectively. We compare film thickness measurements, conducted by a laser triangulation scanner, with those obtained by directly solving the full Navier–Stokes equations in two dimensions and using the volume of fluid (VOF) numerical framework. We examine the evolution of the liquid film at multiple locations over a vertical distance of 4.5m. In both our experiments and simulations we identify a natural wave frequency of the system of approximately 10Hz. We investigate the formulation of the inlet boundary condition and its effects on wave formation. We show how potentially erroneous conclusions can be made if the simulated domain is shorter than 1000 film thicknesses, by mistaking the forced inlet frequency for the natural wave frequency. We recommend an inlet disturbance consisting of a multitude of frequencies to achieve the natural wave frequency over relatively short streamwise distances.

Large Eddy Simulation of Cylindrical Jet Breakup and Correlation of Simulation Results With Experimental Data

Modern engines with increasing power densities have put additional demands on pistons to perform in incrementally challenging thermal environments. Piston cooling is therefore of paramount importance for engine component manufacturers. The objective of this computational fluid dynamics (CFD) study is to identify the effect of a given piston cooling nozzle (PCN) geometry on the cooling oil jet spreading phenomenon. The scope of this study is to develop a numerical setup using the open-source CFD toolkit OpenFoam® for measuring the magnitude of oil jet spreading and comparing it to experimental results. Large eddy simulation (LES) turbulence modeling is used to capture the flow physics that affects the inherently unsteady jet breakup phenomenon. The oil jet spreading width is the primary metric used for comparing the numerical and experimental results. The results of simulation are validated for the correct applicability of LES by evaluating the fraction of resolved turbulent kinetic energy (TKE) at various probe locations and also by performing turbulent kinetic energy spectral analysis. CFD results appear promising since they correspond to the experimental data within a tolerance (of ±10%) deemed satisfactory for the purpose of this study. Further generalization of the setup is underway toward developing a tool that predicts the aforementioned metric—thereby evaluating the effect of PCN geometry on oil jet spreading and hence on the oil catching efficiency (CE) of the piston cooling gallery. This tool would act as an intermediate step in boundary condition formulation for the simulation determining the filling ratio (FR) and subsequently the heat transfer coefficients (HTCs) in the piston cooling gallery.

Formation fronts of a nonlinear elastic medium from a medium without shear stresses

The fronts of phase transition of a medium without shear stresses to a nonlinear incompressible anisotropic elastic medium are considered. The mass flux through unit area of a front is assumed to be known. The variation of the tangential components of the medium’s velocity and the variation of the arising shear stresses are studied. An explicit form of boundary conditions is found using the existence condition of a discontinuity front structure. The Kelvin–Voight viscoelastic model is adopted for this structure.

Variational boundary conditions based on the Nitsche method for fitted and unfitted isogeometric discretizations of the mechanically coupled Cahn–Hilliard equation

The primal variational formulation of the fourth-order Cahn–Hilliard equation requires C1-continuous finite element discretizations, e.g., in the context of isogeometric analysis. In this paper, we explore the variational imposition of essential boundary conditions that arise from the thermodynamic derivation of the Cahn–Hilliard equation in primal variables. Our formulation is based on the symmetric variant of Nitsche's method, does not introduce additional degrees of freedom and is shown to be variationally consistent. In contrast to strong enforcement, the new boundary condition formulation can be naturally applied to any mapped isogeometric parametrization of any polynomial degree. In addition, it preserves full accuracy, including higher-order rates of convergence, which we illustrate for boundary-fitted discretizations of several benchmark tests in one, two and three dimensions. Unfitted Cartesian B-spline meshes constitute an effective alternative to boundary-fitted isogeometric parametrizations for constructing C1-continuous discretizations, in particular for complex geometries. We combine our variational boundary condition formulation with unfitted Cartesian B-spline meshes and the finite cell method to simulate chemical phase segregation in a composite electrode. This example, involving coupling of chemical fields with mechanical stresses on complex domains and coupling of different materials across complex interfaces, demonstrates the flexibility of variational boundary conditions in the context of higher-order unfitted isogeometric discretizations.

Application of an adjoint-based optimization procedure for the optimal control of internal boundary conditions in the shallow water equations

ABSTRACTThe shallow water equations have been extensively studied and used to model unsteady open channel flows in different applications. They belong to the category of hyperbolic partial differential equations and their treatment has recently been benefited from many numerical contributions leading to robust, accurate and well-balanced solutions. The correct formulation of external and internal boundary conditions is required to achieve a useful model in practical application. Control of internal boundary conditions may be useful in water distribution facilities. Therefore, development of a control strategy based on the fully dynamical mathematical model becomes attractive and justified. This work is devoted to the implementation of an adjoint based sensitivity analysis for the control of sluice gates in open-channel flow, formulated as internal boundary conditions. This is one of the most complex tasks in multiple regulated water delivery situations. Based on gradient method optimizers, the control of the whole channel to satisfy different requirements at several points of the channel is discussed. One of the achievements in this work is that the whole optimization process is performed two orders of magnitude faster than in real time. Moreover, the numerical results show this promising technique is a feasible way to obtain a robust and efficient control method.

COMPARATIVE ANALYSIS OF STRUCTURE STABILITY. SYSTEMS WITH ONE DEGREE OF FREEDOM. PART 1

The paper considers the loss of structure stability as one of the most important marginal states. Though this type of limit conditions has been closely studied, there is still no agreement on their causes, hence, there is no uniform approach to defining the criteria that determine the critical state. The most popular criteria known in the structural analysis and the theory of structural stability are energy criteria of stability in the form of Timoshenko or Bryan. In the first case the analysis covers total work of all forces affecting the system at the moment of collapse. In the second the analysis deals with the system internal energy, which allows us to solve the problems considering thermal and similar effects. In spite of the simplicity of the first approach and general character of the second one, it is hardly possible to assert that they can be sufficient to cover the total scope of stability problems that may arise in engineering. The criterion of critical energy critical level permits us to formulate and solve stability problems without any limitations related with the smallness of displacements or the types of impacts affecting a system, so it can be applied to formulate boundary conditions. For better understanding of the said criteria and their illustration the paper presents some simple problems in the form of systems with lumped parameters. Structure stability criteria are studied as in case of the systems with one degree of freedom. The analysis covers the statements and solutions of stability problems in the form of Timoshenko, Bryan and the criterion of energy critical levels. These approaches are reviewed in terms of their advantages and disadvantages using the example of the model of a structure with one degree of freedom.

Multigrid defect correction and fourth-order compact scheme for Poisson’s equation

This paper presents an analysis of a multigrid defect correction to solve a fourth-order compact scheme discretization of the Poisson’s equation. We focus on the formulation, which arises in the velocity/pressure decoupling methods encountered in computational fluid dynamics. Especially, the Poisson’s equation results of the divergence/gradient formulation and Neumann boundary conditions are prescribed. The convergence rate of a multigrid defect correction is investigated by means of an eigenvalues analysis of the iteration matrix. The stability and the mesh-independency are demonstrated. An improvement of the convergence rate is suggested by introducing the damped Jacobi and Incomplete Lower Upper smoothers. Based on an eigenvalues analysis, the optimal damping parameter is proposed for each smoother. Numerical experiments confirm the findings of this analysis for periodic domain and uniform meshes which are the working assumptions. Further numerical investigations allow us to extend the results of the eigenvalues analysis to Neumann boundary conditions and non-uniform meshes. The Hodge–Helmholtz decomposition of a vector field is carried out to illustrate the computational efficiency, especially by making comparisons with a second-order discretization of the Poisson’s equation solved with a state of art of algebraic multigrid method.

Non-localness of Excess Potentials and Boundary Value Problems of Poisson–Nernst–Planck Systems for Ionic Flow: A Case Study

Poisson–Nernst–Planck (PNP) type systems are basic primitive models for ionic flow through ion channels. Important properties of ion channels, such as current-voltage relations, permeation and selectivity, can be extracted from solutions of boundary value problems (BVP) of PNP type models. Many issues of BVP of PNP type systems with local excess potentials (including particularly classical PNP systems that treat ions as point-charges) are extensively examined analytically and numerically. On the other hand, for PNP type systems with nonlocal excess potentials, even the issue of well-posedness of BVP is poorly understood. In fact, the formulation of correct boundary conditions seems to be overlooked, even though complications of ionic behavior near the boundaries (locations of applied electrodes) have been long experienced in experiments and simulations. PNP type systems with nonlocal excess potentials can be viewed as functional differential systems and, for many approximation models of nonlocal excess potentials, as differential equations with both delays and advances. Thus PNP type systems with nonlocal excess potentials have infinite degree of freedoms and BVP with the traditional “two-point-boundary-conditions” would be severely under determined. The mathematical theory for PNP with nonlocal excess potential would be significantly different from that for PNP with local excess potentials. Taking into considerations of experimental designs of ionic flow through ion channels and in a relatively simple setting, we present a form of natural “boundary conditions” so that the corresponding BVP of PNP type systems with nonlocal excess potentials are generally well-posed. This work, at an early stage toward a better understanding of related issues, provides some insights on interpretations of experimental designs of imposing boundary conditions and for correct formulations of numerical simulations, and hopefully, will stimulate further mathematical analysis on this important issue.

Formulation of a new ocean salinity boundary condition and impact on the simulated climate of an oceanic general circulation model

The salinity boundary condition at the ocean surface plays an important role in the stability of long-term integrations of an oceanic general circulation model (OGCM) and in determining its equilibrium solutions. This study presents a new formulation of the salt flux calculation at the ocean surface based on physical processes of salt exchange at the air-sea interface. The formulation improves the commonly used virtual salt flux with constant reference salinity by allowing for spatial correlations between surface freshwater flux and sea-surface salinity while preserving the conservation of global salinity. The new boundary condition is implemented in the latest version of the National Key Laboratory of Numerical Modeling for Atmospheric Sciences and Geophysical Fluid Dynamics/Institute of Atmospheric Physics Climate Ocean Model version 2 (LICOM2.0). The impact of the new boundary condition on the equilibrium simulations of the model is presented. It is shown that the new formulation leads to a stronger Atlantic meridional overturning circulation (AMOC) that is closer to observational estimates. It also slightly improves poleward heat transport by the oceans in both the Atlantic and the global oceans.

STRAIN CONCENTRATION IN APICES OF RADIAL CRACKS IN A THIN COATED PIPE WALL

Objectives. The well-known discontinuous solution method, used in the study of infinite and semi-infinite domains, is generalised during the construction of solutions in Fourier series. This makes it possible to reduce the problem of the mechanics of a deformable solid for a limited region containing cuts or inclusions to the solution of an integral equation (or system) with respect to discontinuities of the functions being defined. Methods. The method was implemented through the application to the solution of the theoretical elasticity problem for a pipe section (plane deformation) weakened by an internal radial crack. The pipe was loaded with hydrostatic pressure and a thin coating is applied on its inner surface, improving its physical and mechanical properties. The applied method, combined with the conventional integral transformation, can be effectively used in the construction of discontinuous solutions of three-dimensional problems of the theory of elasticity. Results. Specially formulated boundary conditions were used as a coating model. In order to verify the adequacy of the adopted model, a series of numerical experiments was carried out. In some cases, calculations were carried out for the cross-section of a coated pipe in finite-element ANSYS and COMSOL software packages. In others, benefiting from the extensive capabilities of the FlexPDE software package, an uncoated pipe model was constructed, although using special boundary conditions. Comparison of the results obtained made it possible to ascertain the adequacy of the models constructed across a certain range of geometric and physical parameters. Conclusion. The problem is reduced to the solution of a singular integral equation with a Cauchy kernel with respect to the derivative of the jump in the tangential component of the displacement vector on the crack edges. Its solution is determined by the collocation method with a pre-selected feature. The ultimate goal of the study is to determine the values of the strain intensity coefficient at the apices of the crack.

Transport Equation with Boundary Conditions Related to the Interior Solution

ABSTRACTThis work deals with the transport equation endowed with a new form of boundary conditions. These boundary conditions relate the input flux to the total flux by means a boundary operator. Thanks to the boundedness of this operator, we prove that the transport equation is governed by a strongly continuous semigroup. We end this work by two applications.

Error transport equation boundary conditions for the Euler and Navier–Stokes equations

Discretization error is usually the largest and most difficult numerical error source to estimate for computational fluid dynamics, and boundary conditions often contribute a significant source of error. Boundary conditions are described with a governing equation to prescribe particular behavior at the boundary of a computational domain. Boundary condition implementations are considered sufficient when discretized with the same order of accuracy as the primary governing equations; however, careless implementations of boundary conditions can result in significantly larger numerical error. Investigations into different numerical implementations of Dirichlet and Neumann boundary conditions for Burgers' equation show a significant impact on the accuracy of Richardson extrapolation and error transport equation discretization error estimates. The development of boundary conditions for Burgers' equation shows significant improvements in discretization error estimates in general and a significant improvement in truncation error estimation. The latter of which is key to accurate residual-based discretization error estimation. This research investigates scheme consistent and scheme inconsistent implementations of inflow and outflow boundary conditions up to fourth order accurate and a formulation for a slip wall boundary condition for truncation error estimation are developed for the Navier–Stokes and Euler equations. The scheme consistent implementation resulted in much smoother truncation error near the boundaries and more accurate discretization error estimates.

Multiscale approach to computation of three-dimensional gas mixture flows in engineering microchannels

A multiscale approach to computing real gas flows in engineering microchannels on high-performance computer systems in a wide range of Knudsen numbers is described. The numerical implementation of the approach combines the solution of quasigasdynamic equations and the molecular dynamics method. Following the approach, the parameters of the real gas equation of state are found at the molecular level, the kinetic gas properties are calculated, and the form of boundary conditions on the microchannel walls are determined. The technique is verified by computing several test problems. The results agree well with available theoretical and experimental data.